(E)-3-[2-(1-naphthalen-1-ylethylcarbamoyl)-4-(phenoxymethyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(1-naphthalen-1-ylethylcarbamoyl)-4-(phenoxymethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[1-(1-naphthyl)ethylcarbamoyl]-4-(phenoxymethyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[[1-(1-naphthalenyl)ethylamino]-oxomethyl]-4-(phenoxymethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(1-naphthalen-1-ylethylcarbamoyl)-4-(phenoxymethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-[1-(1-naphthyl)ethylcarbamoyl]-4-(phenoxymethyl)phenyl]acrylic acid Formula: C29H25NO4 MolecularWeight: 451.5131

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)COC4=CC=CC=C4)C=CC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)COC4=CC=CC=C4)/C=C/C(=O)O

InChI

InChI=1S/C29H25NO4/c1-20(25-13-7-9-22-8-5-6-12-26(22)25)30-29(33)27-18-21(14-15-23(27)16-17-28(31)32)19-34-24-10-3-2-4-11-24/h2-18,20H,19H2,1H3,(H,30,33)(H,31,32)/b17-16+